CID 658411

312310-00-2

Structural Information

Molecular Formula
C18H18N4O3
SMILES
CC1=CC(=NC(=N1)N2C(=CC(=N2)C)C)OC3=CC=C(C=C3)C(=O)OC
InChI
InChI=1S/C18H18N4O3/c1-11-10-16(20-18(19-11)22-13(3)9-12(2)21-22)25-15-7-5-14(6-8-15)17(23)24-4/h5-10H,1-4H3
InChIKey
NEXDZDGKLFECPR-UHFFFAOYSA-N
Compound name
methyl 4-[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]oxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

338.13788 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.14516 180.5
[M+Na]+ 361.12710 195.6
[M+NH4]+ 356.17170 185.8
[M+K]+ 377.10104 191.3
[M-H]- 337.13060 183.4
[M+Na-2H]- 359.11255 188.5
[M]+ 338.13733 183.4
[M]- 338.13843 183.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.